Geometry & MOs

Info

ID:	183382
PubChem CID:	77015727
Reduced:	ClN3C14H22 (1)
Stoich.:	AB3C14D22 (1)
Weight, g/mol:	285.140804
ΔH_f, kcal/mol:	9.51
Dipole, Da:	2.67
IP(EA), eV:	-8.71(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chloro-6-fluorophenyl)-5-(3-methylbutan-2-yl)pyrazolidin-3-amine

Drug info:

PubChemData

Smile

CC(C)C(C)C1C(C(NN1)N)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations